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NER

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O1C1sing1.36Å1.43Å
O1HO1sing0.98Å0.95Å
C1C2sing1.51Å1.53Å
C1O2doub1.22Å26.87Å
C2C3sing1.53Å1.52Å
C2H21sing1.10Å1.10Å
C2H22sing1.10Å1.10Å
C3C4sing1.53Å1.53Å
C3H31sing1.10Å1.10Å
C3H32sing1.10Å1.10Å
C4C5sing1.53Å1.52Å
C4H41sing1.10Å1.10Å
C4H42sing1.10Å1.10Å
C5C6sing1.53Å1.53Å
C5H51sing1.10Å1.10Å
C5H52sing1.10Å1.10Å
C6C7sing1.53Å1.52Å
C6H61sing1.09Å1.10Å
C6H62sing1.10Å1.10Å
C7C8sing1.53Å1.52Å
C7H71sing1.10Å1.10Å
C7H72sing1.09Å1.10Å
C8C9sing1.53Å1.52Å
C8H81sing1.10Å1.10Å
C8H82sing1.10Å1.10Å
C9C10sing1.53Å1.53Å
C9H91sing1.10Å1.10Å
C9H92sing1.10Å1.10Å
C10C11sing1.53Å1.53Å
C10H101sing1.10Å1.10Å
C10H102sing1.10Å1.10Å
C11C12sing1.53Å1.53Å
C11H111sing1.10Å1.10Å
C11H112sing1.10Å1.10Å
C12C13sing1.53Å1.53Å
C12H121sing1.10Å1.10Å
C12H122sing1.10Å1.10Å
C13C14sing1.53Å1.53Å
C13H131sing1.10Å1.10Å
C13H132sing1.10Å1.10Å
C14C15sing1.51Å1.53Å
C14H141sing1.10Å1.10Å
C14H142sing1.10Å1.10Å
C15C16doub1.34Å1.34Å
C15H15sing1.09Å1.08Å
C16C17sing1.50Å1.52Å
C16H16sing1.09Å1.08Å
C17C18sing1.53Å1.52Å
C17H171sing1.10Å1.10Å
C17H172sing1.10Å1.10Å
C18C19sing1.53Å1.53Å
C18H181sing1.10Å1.10Å
C18H182sing1.10Å1.10Å
C19C20sing1.53Å1.52Å
C19H191sing1.10Å1.10Å
C19H192sing1.10Å1.10Å
C20C21sing1.53Å1.52Å
C20H201sing1.10Å1.10Å
C20H202sing1.10Å1.10Å
C21C22sing1.53Å1.52Å
C21H211sing1.10Å1.10Å
C21H212sing1.10Å1.10Å
C22C23sing1.53Å1.52Å
C22H221sing1.10Å1.10Å
C22H222sing1.10Å1.10Å
C23C24sing1.52Å1.52Å
C23H231sing1.10Å1.10Å
C23H232sing1.10Å1.10Å
C24H241sing1.09Å1.10Å
C24H242sing1.09Å1.10Å
C24H243sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1O1HO1109.5°112.0°
O1C1C2108.3°110.0°
O1C1O294.0°123.7°
C2C1O233.9°126.2°
C1C2C3111.0°111.9°
C1C2H21108.6°108.3°
C1C2H22109.0°108.1°
C3C2H21108.6°109.9°
C3C2H22109.0°109.5°
C2C3C4105.7°111.3°
C2C3H31111.5°109.6°
C2C3H32110.7°109.7°
H21C2H22110.7°109.1°
C4C3H31111.6°109.7°
C4C3H32110.8°109.7°
C3C4C5111.5°111.2°
C3C4H41108.3°108.9°
C3C4H42108.8°109.6°
H31C3H32106.6°106.7°
C5C4H41108.4°110.0°
C5C4H42108.8°109.7°
C4C5C6110.9°113.8°
C4C5H51108.7°109.2°
C4C5H52109.0°109.5°
H41C4H42111.1°107.4°
C6C5H51108.7°108.1°
C6C5H52109.0°109.3°
C5C6C7109.5°113.2°
C5C6H61109.4°107.5°
C5C6H62109.4°109.6°
H51C5H52110.6°106.6°
C7C6H61109.4°110.0°
C7C6H62109.4°109.5°
C6C7C8108.2°113.5°
C6C7H71110.1°109.2°
C6C7H72109.9°110.0°
H61C6H62109.5°106.8°
C8C7H71110.2°107.4°
C8C7H72109.9°110.3°
C7C8C9109.5°116.0°
C7C8H81109.4°108.3°
C7C8H82109.4°109.0°
H71C7H72108.5°106.3°
C9C8H81109.4°108.9°
C9C8H82109.5°108.4°
C8C9C10107.7°115.8°
C8C9H91110.5°108.1°
C8C9H92110.1°109.2°
H81C8H82109.5°105.7°
C10C9H91110.4°108.9°
C10C9H92110.0°108.5°
C9C10C11111.6°113.3°
C9C10H101108.3°109.0°
C9C10H102108.7°108.4°
H91C9H92108.1°105.8°
C11C10H101108.3°110.5°
C11C10H102108.8°109.0°
C10C11C12110.4°113.8°
C10C11H111109.0°110.2°
C10C11H112109.2°109.3°
H101C10H102111.2°106.3°
C12C11H111109.0°108.1°
C12C11H112109.2°108.6°
C11C12C13114.1°113.1°
C11C12H121107.0°107.8°
C11C12H122108.0°109.6°
H111C11H112110.2°106.6°
C13C12H121106.9°110.7°
C13C12H122108.0°109.1°
C12C13C14115.4°113.1°
C12C13H131106.2°111.2°
C12C13H132107.6°108.1°
H121C12H122113.1°106.3°
C14C13H131106.2°109.8°
C14C13H132107.5°108.2°
C13C14C15113.4°117.4°
C13C14H141107.3°109.5°
C13C14H142108.2°107.6°
H131C13H132114.2°106.1°
C15C14H141107.3°108.6°
C15C14H142108.2°106.7°
C14C15C16127.5°127.1°
C14C15H15116.3°114.6°
H141C14H142112.6°106.4°
C16C15H15116.3°118.2°
C15C16C17128.9°124.3°
C15C16H16115.5°119.9°
C17C16H16115.6°115.8°
C16C17C18109.8°112.9°
C16C17H171109.3°108.7°
C16C17H172109.3°110.3°
C18C17H171109.3°109.7°
C18C17H172109.4°108.5°
C17C18C19111.8°113.5°
C17C18H181108.2°109.7°
C17C18H182108.7°108.3°
H171C17H172109.8°106.5°
C19C18H181108.2°109.6°
C19C18H182108.7°109.0°
C18C19C20111.3°111.5°
C18C19H191108.4°110.2°
C18C19H192108.9°109.5°
H181C18H182111.3°106.7°
C20C19H191108.5°108.8°
C20C19H192108.8°109.6°
C19C20C21110.9°111.1°
C19C20H201108.7°109.6°
C19C20H202109.0°109.6°
H191C19H192110.9°107.2°
C21C20H201108.7°109.5°
C21C20H202109.0°109.6°
C20C21C22113.8°111.4°
C20C21H211107.1°109.5°
C20C21H212108.1°109.5°
H201C20H202110.6°107.2°
C22C21H211107.1°109.6°
C22C21H212108.1°109.5°
C21C22C23109.1°111.3°
C21C22H221109.7°109.6°
C21C22H222109.6°109.7°
H211C21H212112.9°107.2°
C23C22H221109.7°109.7°
C23C22H222109.6°109.5°
C22C23C24111.2°111.5°
C22C23H231108.5°109.8°
C22C23H232108.9°109.9°
H221C22H222109.2°107.1°
C24C23H231108.5°109.2°
C24C23H232108.9°109.2°
C23C24H241109.5°110.2°
C23C24H242109.5°111.0°
C23C24H243109.5°111.0°
H231C23H232110.8°107.2°
H241C24H242109.5°108.1°
H241C24H243109.5°108.0°
H242C24H243109.4°108.3°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O1C1C2O268.8°179.8°
O1C1C2C373.0°178.8°
O1C1C2H2146.3°59.9°
O1C1C2H22167.0°58.2°
HO1O1C1C231.4°179.9°
HO1O1C1O20.0°0.1°
C1C2C3H21119.4°120.4°
C1C2C3H22120.0°119.8°
C1C2H21H22119.6°117.4°
C1C2C3C4169.2°178.5°
C1C2C3H3169.3°60.0°
C1C2C3H3249.2°56.9°
O2C1C2C3141.8°1.3°
O2C1C2H2122.5°120.0°
O2C1C2H2298.2°122.0°
C3C2H21H22119.6°120.1°
C2C3C4H31121.4°121.5°
C2C3C4H32120.0°121.6°
C2C3H31H32121.0°118.8°
C2C3C4C5162.1°178.7°
C2C3C4H4142.9°60.0°
C2C3C4H4278.0°57.2°
H21C2C3C449.8°58.1°
H21C2C3H31171.3°179.6°
H21C2C3H3270.2°63.5°
H22C2C3C470.8°61.7°
H22C2C3H3150.7°59.8°
H22C2C3H32169.2°176.7°
C4C3H31H32121.0°118.7°
C3C4C5H41119.2°120.7°
C3C4C5H42120.0°121.4°
C3C4H41H42119.4°118.6°
C3C4C5C6168.7°179.1°
C3C4C5H5171.9°60.0°
C3C4C5H5248.7°56.4°
H31C3C4C576.5°59.9°
H31C3C4H41164.3°61.5°
H31C3C4H4243.5°178.6°
H32C3C4C542.1°57.0°
H32C3C4H4177.1°178.4°
H32C3C4H42162.0°64.5°
C5C4H41H42119.5°119.4°
C4C5C6H51119.4°121.5°
C4C5C6H52120.0°122.8°
C4C5H51H52119.6°118.2°
C4C5C6C7168.7°178.4°
C4C5C6H6171.3°60.0°
C4C5C6H6248.7°55.8°
H41C4C5C649.5°58.4°
H41C4C5H51168.9°179.3°
H41C4C5H5270.5°64.3°
H42C4C5C671.3°59.5°
H42C4C5H5148.1°61.4°
H42C4C5H52168.7°177.8°
C6C5H51H52119.6°117.5°
C5C6C7H61120.0°120.3°
C5C6C7H62120.0°122.6°
C5C6H61H62120.0°117.6°
C5C6C7C853.0°179.7°
C5C6C7H71173.5°60.0°
C5C6C7H7267.0°56.2°
H51C5C6C749.3°60.2°
H51C5C6H61169.3°61.5°
H51C5C6H6270.7°177.2°
H52C5C6C771.3°55.6°
H52C5C6H6148.7°177.3°
H52C5C6H62168.7°67.0°
C7C6H61H62120.0°118.8°
C6C7C8H71120.5°120.7°
C6C7C8H72120.0°123.9°
C6C7H71H72120.3°118.5°
C6C7C8C9177.2°177.3°
C6C7C8H8157.2°59.9°
C6C7C8H8262.8°54.6°
H61C6C7C867.0°60.0°
H61C6C7H7153.5°179.7°
H61C6C7H72173.0°64.1°
H62C6C7C8173.0°57.1°
H62C6C7H7166.5°62.6°
H62C6C7H7253.0°178.8°
C8C7H71H72120.3°118.1°
C7C8C9H81120.0°122.5°
C7C8C9H82120.0°123.0°
C7C8H81H82120.0°116.7°
C7C8C9C10176.8°57.6°
C7C8C9H9156.1°64.9°
C7C8C9H9263.2°179.6°
H71C7C8C962.4°62.0°
H71C7C8H81177.6°60.8°
H71C7C8H8257.6°175.3°
H72C7C8C957.2°53.4°
H72C7C8H8162.8°176.2°
H72C7C8H82177.2°69.3°
C9C8H81H82120.0°116.3°
C8C9C10H91120.7°122.1°
C8C9C10H92120.0°123.2°
C8C9H91H92120.5°116.9°
C8C9C10C11165.6°177.9°
C8C9C10H10146.5°58.6°
C8C9C10H10274.4°56.7°
H81C8C9C1063.2°180.0°
H81C8C9H91176.1°57.5°
H81C8C9H9256.8°57.1°
H82C8C9C1056.8°65.4°
H82C8C9H9163.9°172.1°
H82C8C9H92176.8°57.4°
C10C9H91H92120.5°116.4°
C9C10C11H101119.1°122.7°
C9C10C11H102120.0°120.9°
C9C10H101H102119.4°116.7°
C9C10C11C12140.0°177.3°
C9C10C11H11120.3°61.1°
C9C10C11H112100.0°55.7°
H91C9C10C1173.7°60.0°
H91C9C10H101167.2°63.5°
H91C9C10H10246.3°178.8°
H92C9C10C1145.6°54.7°
H92C9C10H10173.5°178.2°
H92C9C10H102165.6°66.5°
C11C10H101H102119.4°118.1°
C10C11C12H111119.7°122.8°
C10C11C12H112120.0°121.9°
C10C11H111H112119.8°118.5°
C10C11C12C13178.4°177.2°
C10C11C12H12160.4°54.5°
C10C11C12H12261.5°60.8°
H101C10C11C12100.9°60.0°
H101C10C11H111139.4°61.6°
H101C10C11H11219.1°178.4°
H102C10C11C1220.0°56.4°
H102C10C11H11199.6°178.1°
H102C10C11H112140.0°65.1°
C12C11H111H112119.7°116.6°
C11C12C13H121118.0°121.1°
C11C12C13H122120.0°122.3°
C11C12H121H122118.7°117.4°
C11C12C13C1472.9°178.9°
C11C12C13H13144.4°57.1°
C11C12C13H132167.1°59.0°
H111C11C12C1361.9°60.0°
H111C11C12H121179.9°177.2°
H111C11C12H12258.1°62.0°
H112C11C12C1358.4°55.3°
H112C11C12H12159.6°67.5°
H112C11C12H122178.4°177.3°
C13C12H121H122118.7°118.3°
C12C13C14H131117.3°124.8°
C12C13C14H132120.0°119.8°
C12C13H131H132118.3°117.3°
C12C13C14C1560.7°64.8°
C12C13C14H14157.5°59.6°
C12C13C14H142179.3°174.9°
H121C12C13C14169.1°60.0°
H121C12C13H13173.6°64.1°
H121C12C13H13249.1°179.8°
H122C12C13C1447.1°56.6°
H122C12C13H131164.4°179.3°
H122C12C13H13272.9°63.2°
C14C13H131H132118.3°116.8°
C13C14C15H141118.3°124.9°
C13C14C15H142120.0°120.8°
C13C14H141H142118.9°116.1°
C13C14C15C16137.5°124.9°
C13C14C15H1542.5°53.4°
H131C13C14C15178.0°60.0°
H131C13C14H14159.8°175.6°
H131C13C14H14262.0°60.3°
H132C13C14C1559.3°175.4°
H132C13C14H141177.6°60.1°
H132C13C14H14260.7°55.2°
C15C14H141H142118.9°114.5°
C14C15C16H15180.0°178.3°
C14C15C16C170.3°0.0°
C14C15C16H16179.7°179.8°
H141C14C15C1619.2°0.0°
H141C14C15H15160.8°178.3°
H142C14C15C16102.5°114.3°
H142C14C15H1577.5°67.3°
C15C16C17H16180.0°179.8°
C15C16C17C18120.7°122.0°
C15C16C17H1710.9°0.0°
C15C16C17H172119.3°116.4°
H15C15C16C17179.7°178.3°
H15C15C16H160.3°1.5°
C16C17C18H171119.8°121.5°
C16C17C18H172120.0°122.6°
C16C17H171H172119.9°118.9°
C16C17C18C19174.3°62.9°
C16C17C18H18155.3°60.0°
C16C17C18H18265.7°176.0°
H16C16C17C1859.3°57.8°
H16C16C17H171179.1°179.8°
H16C16C17H17260.7°63.8°
C18C17H171H172119.9°117.2°
C17C18C19H181119.0°122.9°
C17C18C19H182120.0°120.7°
C17C18H181H182119.3°117.0°
C17C18C19C20157.0°179.2°
C17C18C19H19137.8°60.0°
C17C18C19H19283.0°57.8°
H171C17C18C1965.8°58.6°
H171C17C18H181175.1°178.5°
H171C17C18H18254.2°62.5°
H172C17C18C1954.3°174.5°
H172C17C18H18164.7°62.6°
H172C17C18H182174.4°53.4°
C19C18H181H182119.4°117.8°
C18C19C20H191119.2°121.7°
C18C19C20H192120.0°121.4°
C18C19H191H192119.5°119.1°
C18C19C20C21137.4°178.8°
C18C19C20H20118.0°60.0°
C18C19C20H202102.6°57.4°
H181C18C19C2083.9°57.9°
H181C18C19H191156.8°63.0°
H181C18C19H19236.1°179.3°
H182C18C19C2037.0°58.5°
H182C18C19H19182.2°179.3°
H182C18C19H192157.0°62.9°
C20C19H191H192119.5°118.4°
C19C20C21H201119.4°121.3°
C19C20C21H202120.0°121.4°
C19C20H201H202119.6°118.9°
C19C20C21C22101.5°178.8°
C19C20C21H21116.6°57.3°
C19C20C21H212138.6°60.0°
H191C19C20C21103.4°59.6°
H191C19C20H201137.2°61.6°
H191C19C20H20216.7°179.1°
H192C19C20C2117.4°57.4°
H192C19C20H201102.0°178.6°
H192C19C20H202137.4°64.0°
C21C20H201H202119.7°118.9°
C20C21C22H211118.1°121.4°
C20C21C22H212120.0°121.3°
C20C21H211H212118.8°118.8°
C20C21C22C23168.5°178.6°
C20C21C22H22171.4°57.1°
C20C21C22H22248.4°60.1°
H201C20C21C22139.1°60.0°
H201C20C21H211102.8°178.6°
H201C20C21H21219.2°61.3°
H202C20C21C2218.5°57.4°
H202C20C21H211136.6°64.1°
H202C20C21H212101.5°178.7°
C22C21H211H212118.8°118.7°
C21C22C23H221120.2°121.4°
C21C22C23H222120.0°121.4°
C21C22H221H222120.1°118.9°
C21C22C23C24112.2°178.6°
C21C22C23H231128.5°57.5°
C21C22C23H2327.8°60.2°
H211C21C22C2350.4°60.0°
H211C21C22H221170.5°178.6°
H211C21C22H22269.6°61.3°
H212C21C22C2371.5°57.3°
H212C21C22H22148.6°64.2°
H212C21C22H222168.4°178.6°
C23C22H221H222120.1°118.7°
C22C23C24H231119.3°121.5°
C22C23C24H232120.0°121.6°
C22C23H231H232119.6°119.4°
C22C23C24H241146.6°179.9°
C22C23C24H24226.6°60.2°
C22C23C24H24393.4°60.4°
H221C22C23C247.9°60.0°
H221C22C23H231111.4°178.9°
H221C22C23H232127.9°61.2°
H222C22C23C24127.7°57.2°
H222C22C23H2318.5°63.9°
H222C22C23H232112.3°178.4°
C24C23H231H232119.5°118.1°
C23C24H241H242120.0°121.5°
C23C24H241H243120.0°121.5°
C23C24H242H243120.0°122.1°
H231C23C24H24194.1°58.4°
H231C23C24H242145.9°61.3°
H231C23C24H24325.9°178.1°
H232C23C24H24126.6°58.4°
H232C23C24H24293.4°178.2°
H232C23C24H243146.6°61.3°
H241C24H242H243120.0°116.8°

218500

PDB entries from 2024-04-17

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